Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCC(F)(F)CN)c2c1- InChIKey
LPJNTZLYWYZUBU-UHFFFAOYSA-N- Molecular formula
- C22H24F2N4O2S
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]-2,2-difluoropropane-1,3-diamine
- IUPAC
- N'-[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]-2,2-difluoropropane-1,3-diamine
Names & synonyms
N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]-2,2-difluoropropane-1,3-diamineSCHEMBL14692796
Database identifiers
- PubChem CID
- 71255803
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 717
Related reactions
1 records
Compound notes
Loading…